Chemical ID: 6776671

CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(c(cn3)C(=O)N4CCc5ccccc5C4)O
Chemical ID:
6776671
Name [?]:
3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(2-ethoxyphenyl)-4-hydroxy-N-methyl-quinoline-6-sulfonamide
SMILES [?]:
CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(c(cn3)C(=O)N4CCc5ccccc5C4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N3O5S
All Atoms:64
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.6425
Area:730.026
Solvation:-6.60815
Coulombic:-52.3841
Bond Count [?]
All:41
Single:27
Double:14
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:517.597
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.84
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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